4-Aza-4-methylpregnane-3,20-dione
TL;DR: 4-Aza-4-methylpregnane-3,20-dione (CAS 96609-38-0) is a chemical compound with molecular formula C21H33NO2 and molecular weight 331.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-acetyl-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
Also Known As: 4-Aza-4-methylpregnane-3,20-dione, 4-methyl-4-aza-5, A-pregnane-3,20-dione, 4-azapregnane-3,20-dione, 4-methyl-,(5, A)-
| Molecular Formula | C21H33NO2 |
|---|---|
| Molecular Weight | 331.25 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.25113 |
| Heavy Atoms | 24 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 96609-38-0 |
|---|---|
| SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)N4C)C)C |
| InChIKey | WGPZAVZHAGYUOL-UBYIZVQESA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Aza-4-methylpregnane-3,20-dione (CAS 96609-38-0), with molecular formula C21H33NO2 and molecular weight 331.25 g/mol. IUPAC: (1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-acetyl-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one.
Chemical Property Profile of 4-Aza-4-methylpregnane-3,20-dione
Property Insights of 4-Aza-4-methylpregnane-3,20-dione
The XLogP value of 3.6 indicates that 4-Aza-4-methylpregnane-3,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 4-Aza-4-methylpregnane-3,20-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Aza-4-methylpregnane-3,20-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Aza-4-methylpregnane-3,20-dione?
The CAS number of 4-Aza-4-methylpregnane-3,20-dione is 96609-38-0.
What is the molecular formula of 4-Aza-4-methylpregnane-3,20-dione?
The molecular formula of 4-Aza-4-methylpregnane-3,20-dione is C21H33NO2.
What is the molecular weight of 4-Aza-4-methylpregnane-3,20-dione?
The molecular weight of 4-Aza-4-methylpregnane-3,20-dione is 331.25 g/mol.
Where can I buy 4-Aza-4-methylpregnane-3,20-dione?
You can request a quote for 4-Aza-4-methylpregnane-3,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Aza-4-methylpregnane-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Aza-4-methylpregnane-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.